AC1MGJLJ
tert-butyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: SS-0702|KS-00003S38|tert-butyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate|tert-butyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetate|tert-butyl 2-({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)acetate|tert-butyl2-({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)acetate
| Molecular Formula | C18H24N2O2S |
|---|---|
| Molecular Weight | 332.15585 g/mol |
| LogP | 4.04608 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.15585 |
| Monoisotopic Mass | 332.15585 |
| Heavy Atoms | 23 |
| Complexity | 614.6732 |
Chemical Identifiers
| CAS Number | 445384-24-7 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CSC1=C(C=C2CCCCCCC2=N1)C#N |
Product Overview
AC1MGJLJ (CAS 445384-24-7), with molecular formula C18H24N2O2S and molecular weight 332.15585 g/mol. IUPAC: tert-butyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate.
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